3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-2678 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(c4ccccc4o3)NC2=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1275 |
| logD: | 4.1262 |
| logSw: | -4.1473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.213 |
| InChI Key: | CNJRVBOBOVRPCQ-UHFFFAOYSA-N |